Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50141466'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50141466 ((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-7-(2-benzyloxy-...) Show SMILES COc1ccc([C@H]2[C@@H]([C@H](c3ccc(NC(C)C)nc23)c2ccc3OCOc3c2)C(O)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C33H32N2O6/c1-19(2)34-28-14-12-24-29(21-9-13-25-27(15-21)41-18-40-25)31(33(36)37)30(32(24)35-28)23-11-10-22(38-3)16-26(23)39-17-20-7-5-4-6-8-20/h4-16,19,29-31H,17-18H2,1-3H3,(H,34,35)(H,36,37)/t29-,30-,31+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against [125I]-ET-1 binding to human endothelin A receptor				Bioorg Med Chem Lett 14: 1503-7 (2004) Article DOI: 10.1016/j.bmcl.2004.01.008 BindingDB Entry DOI: 10.7270/Q23R0SB4
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